LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# sample surface deposition script for atoms

units		lj
atom_style      atomic
boundary        p p f

lattice		fcc 1.0
Lattice spacing in x,y,z = 1.5874 1.5874 1.5874
region          box block 0 5 0 5 0 10
create_box      2 box
Created orthogonal box = (0 0 0) to (7.93701 7.93701 15.874)
  1 by 1 by 4 MPI processor grid

region		substrate block INF INF INF INF INF 3
create_atoms	1 region substrate
Created 350 atoms
  Time spent = 0.000353813 secs

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0
pair_coeff	1 2 1.0 1.0 5.0
mass		* 1.0

neigh_modify	delay 0

group		addatoms type 2
0 atoms in group addatoms
region          mobile block 0 5 0 5 2 INF
group		mobile region mobile
150 atoms in group mobile

compute		add addatoms temp
compute_modify	add dynamic/dof yes extra/dof 0

fix		1 addatoms nve
fix		2 mobile langevin 1.0 1.0 0.1 587283
fix		3 mobile nve

region          slab block 0 5 0 5 8 9
fix		4 addatoms deposit 100 2 100 12345 region slab near 1.0                 vz -1.0 -1.0
fix		5 addatoms wall/reflect zhi EDGE

thermo_style	custom step atoms temp epair etotal press
thermo          100
thermo_modify	temp add
WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)

#dump		1 all atom 50 dump.deposit.atom

#dump		2 all image 50 image.*.jpg type type #		axes yes 0.8 0.02 view 80 -30
#dump_modify	2 pad 5

#dump		3 all movie 50 movie.mpg type type #		axes yes 0.8 0.02 view 80 -30
#dump_modify	3 pad 5

run             10000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 3 3 6
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 0.4396 | 2.389 | 3.192 Mbytes
Step Atoms Temp E_pair TotEng Press 
       0      350            0   -6.9215833   -6.9215833   -1.0052629 
     100      351   0.83994737   -6.3596932   -6.3561037  -0.10696131 
     200      352   0.83994737   -6.3044678   -6.2973092  -0.38494392 
     300      353   0.84063802    -6.164881   -6.1541646  -0.41223901 
     400      354   0.84248131   -6.0388811   -6.0246018  -0.31496573 
     500      355   0.84688124   -6.0084178    -5.990526  -0.37482638 
     600      356   0.86681079   -6.0286531   -6.0067393  -0.54868509 
     700      357   0.93465165   -5.9564751   -5.9289854  -0.48728319 
     800      358   0.86905333   -5.8498868   -5.8207565   -0.4146325 
     900      359   0.90267243   -5.7844092   -5.7504647  -0.38165702 
    1000      360   0.92357983    -5.777549   -5.7390665  -0.38381524 
    1100      361    1.3481334   -5.7713272   -5.7097089  -0.44738093 
    1200      362      1.15494   -5.7155857   -5.6581577  -0.38961524 
    1300      363   0.97329529   -5.6445379   -5.5922534  -0.37655267 
    1400      364    1.2187161   -5.6818221   -5.6115115  -0.60238965 
    1500      365    1.2026123     -5.66813   -5.5939963  -0.56317155 
    1600      366    1.4012284   -5.6764268    -5.584543  -0.49098723 
    1700      367    1.3618781   -5.6121414    -5.517515  -0.47893702 
    1800      368    0.9670811   -5.5551479   -5.4841935   -0.3409573 
    1900      369     1.002089   -5.6037307   -5.5263336  -0.45325785 
    2000      370    1.3599869   -5.5793818   -5.4691126  -0.44566809 
    2100      371    1.0007793    -5.585692   -5.5007201  -0.54221497 
    2200      372    1.1061185   -5.5172265   -5.4191031  -0.46551381 
    2300      373   0.99747278    -5.556485   -5.4642254  -0.55670256 
    2400      374    1.0990419   -5.5538566   -5.4480664  -0.63197307 
    2500      375    1.1415073   -5.5118583   -5.3977075  -0.51563393 
    2600      376     1.010645   -5.5221148   -5.4172873   -0.5495753 
    2700      377    1.0964314   -5.4985586   -5.3807722  -0.54042329 
    2800      378   0.93010494   -5.4391153   -5.3357703  -0.52395276 
    2900      379   0.93021935   -5.5144863   -5.4077197  -0.69409861 
    3000      380    1.0264349   -5.4314217   -5.3098702  -0.55798648 
    3100      381    1.1612003   -5.4088381   -5.2671168  -0.53167304 
    3200      382     1.087873   -5.4402561     -5.30356  -0.71158961 
    3300      383     1.048209   -5.4309208   -5.2954473  -0.67551183 
    3400      384    1.0275111   -5.4536819   -5.3172156  -0.73761551 
    3500      385    1.2716758   -5.4036871   -5.2302768  -0.63612803 
    3600      386    1.2154857   -5.4003006   -5.2302586  -0.61641823 
    3700      387    1.3376196   -5.4279619   -5.2361328  -0.59689863 
    3800      388    1.2523858    -5.358924   -5.1749395  -0.55321551 
    3900      389    1.1650111    -5.333714   -5.1585131  -0.55412715 
    4000      390   0.98352817   -5.2980477   -5.1467357  -0.68167218 
    4100      391    1.2779827    -5.297845   -5.0968324  -0.65191886 
    4200      392    1.0255535   -5.2295551    -5.064734   -0.4761042 
    4300      393    1.1237891   -5.2225392   -5.0381005  -0.52734107 
    4400      394   0.97683493   -5.2029168   -5.0392846  -0.59056934 
    4500      395    1.0041363   -5.1999674   -5.0283744  -0.72038887 
    4600      396     1.180431   -5.1922463   -4.9865652  -0.55948152 
    4700      397    1.0627588   -5.2298403   -5.0411136  -0.56208516 
    4800      398    1.1202971   -5.2121979   -5.0095311  -0.46793143 
    4900      399    1.2006424    -5.286657   -5.0654861  -0.63042465 
    5000      400    1.0893045   -5.2512329   -5.0469883   -0.6377186 
    5100      401    1.1454769   -5.2580965   -5.0395704  -0.59767673 
    5200      402    0.9467869    -5.249752   -5.0660471  -0.71059143 
    5300      403   0.96324471   -5.1724796   -4.9824599  -0.50261414 
    5400      404    1.1634679   -5.1969879   -4.9637184   -0.5555004 
    5500      405   0.99830529   -5.1678627   -4.9645042  -0.59796761 
    5600      406    1.0065294   -5.1718443   -4.9635968  -0.59208276 
    5700      407   0.97182891   -5.2110109   -5.0068552  -0.63948837 
    5800      408    1.1234056    -5.167964   -4.9284143  -0.53293706 
    5900      409    1.0124687   -5.1828555   -4.9637761   -0.4922831 
    6000      410    1.0804251   -5.2275621   -4.9903956  -0.52329411 
    6100      411    1.0772335     -5.26665   -5.0268279  -0.56252803 
    6200      412    1.0954219   -5.2051974   -4.9579299  -0.42238433 
    6300      413    1.0546562   -5.3045877   -5.0632681  -0.61171278 
    6400      414    1.0985486    -5.335815   -5.0810791  -0.67859848 
    6500      415    1.0416817   -5.2636237   -5.0188913  -0.61917889 
    6600      416   0.86231375   -5.1755229   -4.9703088  -0.51453403 
    6700      417   0.91939084   -5.2111481   -4.9895683   -0.5239181 
    6800      418    1.1242247    -5.240558   -4.9662256  -0.50836149 
    6900      419    1.0578099   -5.2020602   -4.9407635  -0.50665054 
    7000      420   0.98040609   -5.1860531   -4.9409516  -0.63496783 
    7100      421   0.99357521   -5.1989655   -4.9476216  -0.53673646 
    7200      422    1.1168255   -5.1850834   -4.8992607  -0.59194739 
    7300      423    1.0465199   -5.1485597    -4.877652   -0.4964202 
    7400      424   0.91999946   -5.1379187   -4.8970698  -0.45185782 
    7500      425   0.94098172   -5.2197403   -4.9706569   -0.6452508 
    7600      426   0.92305237   -5.2489345   -5.0019205  -0.67135987 
    7700      427    1.0692215   -5.2004352   -4.9112195  -0.60227676 
    7800      428   0.98946072   -5.2168971   -4.9464137  -0.61326494 
    7900      429    1.1578277   -5.2222386   -4.9024191   -0.6841757 
    8000      430    1.1057865   -5.2447073   -4.9361157  -0.57784399 
    8100      431    1.0527643   -5.2189715   -4.9221945   -0.5484357 
    8200      432     1.058862   -5.2236909   -4.9222094  -0.66008275 
    8300      433    1.0543331   -5.2105622    -4.907411  -0.60403808 
    8400      434     1.204621    -5.193864   -4.8441353  -0.57011085 
    8500      435    1.0247837   -5.1910294   -4.8906617   -0.6081565 
    8600      436    1.0314146   -5.1732662   -4.8680999  -0.59109692 
    8700      437   0.98196719    -5.144054   -4.8508121  -0.56483113 
    8800      438    1.1013378   -5.1980036   -4.8660936  -0.60785883 
    8900      439    1.1016903   -5.1251846   -4.7901603  -0.49838338 
    9000      440    1.0926008   -5.1360049   -4.8007751  -0.54767492 
    9100      441    1.1454324   -5.2217858   -4.8672472  -0.67308812 
    9200      442     1.059963   -5.1945332   -4.8635945  -0.54419884 
    9300      443    1.2168669   -5.2244149   -4.8412254  -0.49530257 
    9400      444    1.0656851   -5.1556938   -4.8172667  -0.41869179 
    9500      445   0.99794121   -5.2447091   -4.9251436    -0.638328 
    9600      446    1.1717194    -5.247915    -4.869602  -0.65769093 
    9700      447    1.2345494   -5.1717485   -4.7698985  -0.54917447 
    9800      448     1.187781   -5.1672598   -4.7775192  -0.55482592 
    9900      449   0.99538785   -5.1593424   -4.8301329   -0.5886329 
   10000      450   0.95030539   -5.1408028   -4.8240344   -0.4992403 
Loop time of 5.30178 on 4 procs for 10000 steps with 450 atoms

Performance: 814820.053 tau/day, 1886.158 timesteps/s
94.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0030358  | 0.8503     | 2.2484     | 100.1 | 16.04
Neigh   | 0.0085447  | 0.74813    | 2.3721     | 111.4 | 14.11
Comm    | 0.50519    | 2.6696     | 4.6851     |  95.8 | 50.35
Output  | 0.0024836  | 0.012219   | 0.029616   |   9.5 |  0.23
Modify  | 0.014966   | 0.047625   | 0.094656   |  14.8 |  0.90
Other   |            | 0.9739     |            |       | 18.37

Nlocal:    112.5 ave 250 max 9 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Nghost:    1522.75 ave 2248 max 440 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs:    7415.25 ave 17049 max 23 min
Histogram: 2 0 0 0 0 0 0 1 0 1

Total # of neighbors = 29661
Ave neighs/atom = 65.9133
Neighbor list builds = 1164
Dangerous builds = 0
Total wall time: 0:00:05
